Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.54 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.54 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.54 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8911081 | 0.80 | TACR1 (0.64) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911255 | 0.76 | TACR1 (0.69) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965330 | 0.76 | TACR1 (0.69) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912893 | 0.73 | TACR1 (0.84) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9434738 | 0.72 | SLC1A5 (0.46) | TACR1 | |
| SCHEMBL8911166 | 0.71 | TACR1 (0.71) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827093 | 0.71 | TACR1 (0.80) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827091 | 0.71 | TACR1 (0.80) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL13891612 | 0.71 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911425 | 0.71 | TACR1 (0.68) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5554633-A | ANTIINFLAMMATORY, ANTIARTHRITIC, AND ANALGESIC AGENTS; MIGRAINE | MERCK, SHARP & DOHME, LTD. (GB) | 1996-09-10 | — | — | US | disclosed |
| WO-1994003429-A1 | SUBSTITUTED AMINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-17 | — | — | WO | disclosed |